Keyword(s): Human Metabolites
Molecule Category Free-form
UNII R3PA3EL3RP
EPA CompTox DTXSID00181747

Structure

InChI Key FNQJDLTXOVEEFB-UHFFFAOYSA-N
Smiles s1nnc2c1cccc2
InChI
InChI=1S/C6H4N2S/c1-2-4-6-5(3-1)7-8-9-6/h1-4H

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H4N2S1
Molecular Weight 136.01
AlogP 1.69
Hydrogen Bond Acceptor 3.0
Polar Surface Area 25.78
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 273-77-8
NORMAN SUSDAT
FDA SRS R3PA3EL3RP
PubChem 67505
ChemSpider 60829.0